Magnetic properties of 4{ital d} transition-metal clusters
- Commissariat a l`Energie Atomique, Direction des Sciences de la Matiere, Departement de Recherche sur l`Etat Condense les Atomes et les Molecules, Service de Recherche sur les Surfaces et l`Irradiation de la Matiere, Centre d`Etudes de Saclay, F-91191 Gif-sur-Yvette (France)
- Laboratoire de Physique des Solides, Universite Paris-Sud, Batiment 510, F-91405 Orsay (France)
We analyze the stability of magnetic states obtained within the tight-binding model solved by molecular dynamics for cubo-octahedral (fcc) and icosahedral clusters of 3{ital d} (Ni and Co) and 4{ital d} (Pd, Rh, and Ru) transition metals. The magnetic states are stabilized by the Hund{close_quote}s rule exchange interaction between the {ital d} orbitals. Taking realistic parameters deduced from band structure calculations and spectroscopic data, we obtained saturated ferromagnetism for Ni{sub 13}, Co{sub 13}, and Pd{sub 13} clusters, while Rh{sub 13} fcc and Ru{sub 13} clusters are partially magnetic, with an antiferromagnetic orientation of the moments on the central atoms in Ru clusters. Our results for 4{ital d} transition-metal clusters agree qualitatively with the recent experimental data and with other calculations. Metastable magnetic clusters were identified in several situations. We found a dependence of the equilibrium lattice constant on the magnetization in the considered clusters which may be explained by the character of wave functions in the cluster electronic structure. {copyright} {ital 1996 The American Physical Society.}
- OSTI ID:
- 280189
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 14 Vol. 53; ISSN PRBMDO; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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